N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride

C18H33Cl2N3O2S — CID 119895738

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCOC(C)c1nc(CN(C)C(=O)CC(C)C2CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C18H31N3O2S.2ClH/c1-5-23-14(3)18-20-16(12-24-18)11-21(4)17(22)9-13(2)15-7-6-8-19-10-15;;/h12-15,19H,5-11H2,1-4H3;2*1H
InChIKeySSPWEHGXFMEYBY-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.07
Rot. Bonds8

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119895738) has the molecular formula C18H33Cl2N3O2S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119895738
Molecular FormulaC18H33Cl2N3O2S
Molecular Weight426.45 g/mol
Exact Mass425.17
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCCOC(C)c1nc(CN(C)C(=O)CC(C)C2CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C18H31N3O2S.2ClH/c1-5-23-14(3)18-20-16(12-24-18)11-21(4)17(22)9-13(2)15-7-6-8-19-10-15;;/h12-15,19H,5-11H2,1-4H3;2*1H
InChIKeySSPWEHGXFMEYBY-UHFFFAOYSA-N
XLogP4.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride with MolForge

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Related Compounds

N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-methyl-N-(naphthalen-1-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119707667
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-methyl-N-(naphthalen-2-ylmethyl)-3-piperidin-3-ylbutanamide
CID 119687832
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119807774
N-methyl-N-(2-phenylmethoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119821443
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119895738) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride is CCOC(C)c1nc(CN(C)C(=O)CC(C)C2CCCNC2)cs1.Cl.Cl.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is SSPWEHGXFMEYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2S.2ClH/c1-5-23-14(3)18-20-16(12-24-18)11-21(4)17(22)9-13(2)15-7-6-8-19-10-15;;/h12-15,19H,5-11H2,1-4H3;2*1H.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 426.45 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119895738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).